2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone

C23H24ClN5O2 — CID 167352493

IUPAC2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone
SMILESCN1CCOC2(C1)CN(C(=O)Cn1cnc(-c3ccc(Cl)cc3)c1-c1ccncc1)C2
InChIInChI=1S/C23H24ClN5O2/c1-27-10-11-31-23(13-27)14-29(15-23)20(30)12-28-16-26-21(17-2-4-19(24)5-3-17)22(28)18-6-8-25-9-7-18/h2-9,16H,10-15H2,1H3
InChIKeyHFSOSEFVMAASST-UHFFFAOYSA-N
MW437.93 g/mol
LogP2.81
Rot. Bonds4

About 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone

2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone (PubChem CID 167352493) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone
PubChem CID167352493
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone
SMILESCN1CCOC2(C1)CN(C(=O)Cn1cnc(-c3ccc(Cl)cc3)c1-c1ccncc1)C2
InChIInChI=1S/C23H24ClN5O2/c1-27-10-11-31-23(13-27)14-29(15-23)20(30)12-28-16-26-21(17-2-4-19(24)5-3-17)22(28)18-6-8-25-9-7-18/h2-9,16H,10-15H2,1H3
InChIKeyHFSOSEFVMAASST-UHFFFAOYSA-N
XLogP2.81
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone?
The IUPAC name of 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone (CID 167352493) is 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone?
The canonical SMILES for 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone is CN1CCOC2(C1)CN(C(=O)Cn1cnc(-c3ccc(Cl)cc3)c1-c1ccncc1)C2.
What is the InChIKey of 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone?
The InChIKey is HFSOSEFVMAASST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-27-10-11-31-23(13-27)14-29(15-23)20(30)12-28-16-26-21(17-2-4-19(24)5-3-17)22(28)18-6-8-25-9-7-18/h2-9,16H,10-15H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone?
2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone has a molecular weight of 437.93 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone is sourced from PubChem (CID 167352493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).